A pyrazolate-supported Fe(3)(mu(3)-O) core: structural, spectroscopic, electrochemical, and magnetic study

Inorg Chem. 2007 Dec 24;46(26):10981-9. doi: 10.1021/ic0701460. Epub 2007 Nov 29.

Abstract

A comparison is made between the structural, spectroscopic, electrochemical, and magnetic properties of pyrazolate versus carboxylate complexes [Fe3(mu3(mu3O)(mu-LL)6Cl3]2- containing the Fe3(mu3-O)-motif. While the Fe3(mu3-O)-cores are structurally indistinguishable in the two types of complexes, their magnetic properties deviate from the expected values as a result of a through-pyrazole contribution to the overall antiferromagnetic exchange with J1/hc = -80.1 cm(-1) and J2/hc = -72.4 cm(-1), or J1/hc = 70.6 cm(-1) and J2/hc = -80.8 cm(-1), (Hex = -J1(S1S2 + S2S3) - J2S1S3). The magnetic properties of the pyrazolate complexes are further tuned by an antisymmetric exchange interaction term.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Crystallography, X-Ray
  • Electrochemistry
  • Ferric Compounds / chemistry*
  • Magnetics*
  • Models, Molecular
  • Oxygen / chemistry*
  • Pyrazoles / chemistry*
  • Spectrophotometry
  • Temperature

Substances

  • Ferric Compounds
  • Pyrazoles
  • Oxygen